[(5-bromo-2-methoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine

• ChemBase ID: 311009
• Molecular Formular: C16H18BrNO2
• Molecular Mass: 336.22362
• Monoisotopic Mass: 335.05209082
• SMILES: c1(c(ccc(c1)Br)OC)CNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCc1cc(Br)ccc1OC
• InChI: InChI=1S/C16H18BrNO2/c1-19-15-6-3-12(4-7-15)10-18-11-13-9-14(17)5-8-16(13)20-2/h3-9,18H,10-11H2,1-2H3
• InChIKey: DSXHTINNJDZLIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromo-2-methoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: [(5-bromo-2-methoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine
• Synonyms: (5-bromo-2-methoxybenzyl)(4-methoxybenzyl)amine

Database IDs

• CAS Number: 355382-43-3
• MDL Number: MFCD01135597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0291325
• LogD (pH = 7.4): 2.7433746
• Log P: 3.709478
• Molar Refractivity: 84.4678 cm^3
• Polarizability: 32.856728 Å^3
• Polar Surface Area: 30.49 Å^2